2-(4-Chlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline
Basic information
- CAS
223735-93-1- Standard SMILES
O=C(c1ccc(Cl)cc1)N1CCc2ccccc2C1- InChIKey
AFLIBHSYRRBBBP-UHFFFAOYSA-N- Molecular formula
- C16H14ClNO
- Average molar mass
- 271.74 g/mol
Names & identifiers
- Preferred name
- 2-(4-Chlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- (4-chlorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
- English name
- (4-chlorophenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone
- Molecular formula
- C16H14ClNO
- Molecular weight
- 271.74
Names & synonyms
WAY-300716223735-93-12-(4-chlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline(4-chlorophenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone(4-chlorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanoneMaybridge3_002473Oprea1_159526Oprea1_623914HMS1438A09STK090156AKOS000671473IDI1_013860
Show more names
(4-Chlorophenyl)(3,4-dihydro-2(1H)-isoquinolinyl)methanoneMethanone, (4-chlorophenyl)(3,4-dihydro-2(1H)-isoquinolinyl)-
AS-86349ST042298H55710AG-690/12884904AK-968/11368726Z277171264-chlorophenyl 2-1,2,3,4-tetrahydroisoquinolyl ketoneWAY-300716; WAY 300716; WAY300716
Database identifiers
- CAS
223735-93-1
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 325
Physicochemical properties
- Boiling point
- 448.2 · 448.2±45.0 °C(Predicted)
- Density
- 1.256 · 1.256±0.06 g/cm3(Predicted)
- pka
- -1.54 · -1.54±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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